AMBER Archive (2009)

Subject: [AMBER] about MD simulation

From: 廖青华 (fantastic_0919_at_yahoo.com.cn)
Date: Wed Mar 11 2009 - 04:19:28 CDT

Hi Prof. ,
When I add water to the complex using "solvateoct unit TIP3PBOX 8.0" , it adds nearly twenty thousands water molecules. Is it abnormal?
And somebody suggest me use solvateshell to do that, my queation is that : is it enough to add solvent only using solvateshell? Thanks!

All the best!

Qinghua Liao

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